(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

C20H29N3O5 — CID 6433584

IUPAC(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyWQTLOZFMTGYQDX-WLHGVMLRSA-N
MW391.47 g/mol
LogP2.41
Rot. Bonds7

About (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 6433584) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID6433584
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyWQTLOZFMTGYQDX-WLHGVMLRSA-N
XLogP2.41
TPSA111.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Propiram
CID 26216
4-Oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanoic acid
CID 735783
2-Methyl-1-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-one
CID 18340861
1-Piperazinepropionic acid, 4-(2-pyridinyl)-
CID 6485183
1-[4-(Pyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 572286
acetic acid;(3S)-3-amino-6-(diaminomethylideneamino)-N-methyl-N-[6-oxo-2-(pyridin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]hexanamide
CID 44322893
acetic acid;(3S)-3,7-diamino-N-methyl-N-[6-oxo-2-(pyridin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]heptanamide
CID 44322971
1-Piperazinepropanoic acid, 4-(2-pyridinyl)-, methyl ester, hydrochloride (1:1)
CID 20833838
Acetamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 27937
Propanamide, N-(2-(1-piperidinyl)propyl)-N-2-pyridinyl-
CID 3041469
5-methyl-1-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)pyrimidine-2,4(1H,3H)-dione
CID 45280815
(E)-3-[6-[3-[6-[(E)-2-carboxyethenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-2-pyridinyl]prop-2-enoic acid
CID 71583646

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (CID 6433584) is (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCCCC1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is WQTLOZFMTGYQDX-WLHGVMLRSA-N. The full InChI is InChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 391.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 6433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).